Compound Detail
CHEMBL1161814
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Basic Information
| ChEMBL ID | CHEMBL1161814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWBFXQPFSZHDNO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
0.64
ALogP
5
HBA
4
HBD
124.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | IC50 | 7.12 | 6.335 | 75.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | IC50 | = | 75.0 | nM | 7.12 | Inhibition of LF by FRET assay | 16338135 |
| Lethal factor | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of LF by MACK assay | 16338135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16338135 | 10.1016/j.bmcl.2005.10.088 | Lethal factor | 2 |
Data from ChEMBL 36 via Core Engine